2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid

C6H8F2O3 — CID 99640388

IUPAC2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C(F)(F)[C@@H]1CCCO1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyXNHRBXIYSXVOGJ-BYPYZUCNSA-N
MW166.12 g/mol
LogP0.89
Rot. Bonds2

About 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid

2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid (PubChem CID 99640388) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
PubChem CID99640388
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C(F)(F)[C@@H]1CCCO1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyXNHRBXIYSXVOGJ-BYPYZUCNSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid (CID 99640388) is 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid is O=C(O)C(F)(F)[C@@H]1CCCO1.
What is the InChIKey of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The InChIKey is XNHRBXIYSXVOGJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid has a molecular weight of 166.12 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid is sourced from PubChem (CID 99640388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).